N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide

C12H16N4OS — CID 65205264

IUPACN-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCCC1C#N
InChIInChI=1S/C12H16N4OS/c1-2-4-10-11(18-16-15-10)12(17)14-9-6-3-5-8(9)7-13/h8-9H,2-6H2,1H3,(H,14,17)
InChIKeyOKIMKZQSKTZQGP-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.91
Rot. Bonds4

About N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide

N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65205264) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65205264
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCCC1C#N
InChIInChI=1S/C12H16N4OS/c1-2-4-10-11(18-16-15-10)12(17)14-9-6-3-5-8(9)7-13/h8-9H,2-6H2,1H3,(H,14,17)
InChIKeyOKIMKZQSKTZQGP-UHFFFAOYSA-N
XLogP1.91
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
4-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 93618229
4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide
CID 136587878
4-propyl-N-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}-1,2,3-thiadiazole-5-carboxamide
CID 137966637
4-cyclopropyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
CID 166239909
4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
CID 166239910
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 45819335
N-cyclohexyl-4-propylthiadiazole-5-carboxamide
CID 54080166
N-(cycloheptylmethyl)-4-propylthiadiazole-5-carboxamide
CID 54212294
N-(2-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide
CID 70606834
N-(3-methylcyclohexyl)-4-propylthiadiazole-5-carboxamide
CID 70607037
N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide
CID 138996222

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide (CID 65205264) is N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is OKIMKZQSKTZQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-4-10-11(18-16-15-10)12(17)14-9-6-3-5-8(9)7-13/h8-9H,2-6H2,1H3,(H,14,17).
What are the key properties of N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide?
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).